N-methyl-1,4-dioxaspiro[4.5]decan-8-amine

C9H17NO2 — CID 16786570

IUPACN-methyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCNC1CCC2(CC1)OCCO2
InChIInChI=1S/C9H17NO2/c1-10-8-2-4-9(5-3-8)11-6-7-12-9/h8,10H,2-7H2,1H3
InChIKeyNRVBOSMTPWJVIF-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.89
Rot. Bonds1

About N-methyl-1,4-dioxaspiro[4.5]decan-8-amine

N-methyl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 16786570) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-methyl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-methyl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID16786570
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-methyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCNC1CCC2(CC1)OCCO2
InChIInChI=1S/C9H17NO2/c1-10-8-2-4-9(5-3-8)11-6-7-12-9/h8,10H,2-7H2,1H3
InChIKeyNRVBOSMTPWJVIF-UHFFFAOYSA-N
XLogP0.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-methyl-1,4-dioxaspiro[4.5]decan-8-amine (CID 16786570) is N-methyl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-methyl-1,4-dioxaspiro[4.5]decan-8-amine is CNC1CCC2(CC1)OCCO2.
What is the InChIKey of N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is NRVBOSMTPWJVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-10-8-2-4-9(5-3-8)11-6-7-12-9/h8,10H,2-7H2,1H3.
What are the key properties of N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
N-methyl-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 171.24 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 16786570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).